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1-Deoxysphingosine (m18:1 (4E) )

CAT: 0013-GTR19190098-01Size: 500 µgDry Ice: NoHazardous: No
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Description
1-Deoxysphingosine (m18:1 (4E) )
CAS Number
193222-34-3
Field of Research
Metabolism Research
Smiles
CCCCCCCCCCCCC\C=C\[C@@H] (O) [C@H] (C) N
Molecular Formula
C18H37NO
Molecular Weight
283.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Deoxysphingosine

structure in first source

CAS Number193222-34-3
PubChem CID15928896
IUPAC Name(E,2S,3R)-2-aminooctadec-4-en-3-ol
Molecular FormulaC18H37NO
Molecular Weight283.5
XLogP6.3
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count20
Formal Charge0
Complexity215
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](C)N)O
InChI
InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h15-18,20H,3-14,19H2,1-2H3/b16-15+/t17-,18+/m0/s1
InChIKey
ZREXGWPJFRJAJU-SWESGNQDSA-N
Chemical Structure
2D Structure
2D structure of 1-Deoxysphingosine
CAS: 193222-34-3
CID: 15928896
Formula: C18H37NO
MW: 283.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.5
XLogP36.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass283.287514804
Monoisotopic Mass283.287514804
Topological Polar Surface Area46.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity215
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS57989271-Deoxysphingosine (m18:1(4E))
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sc-9977 AC4E-BP1 (P-1) AC
TRC-H925015-100MG(4E)-4-Hexen-1-ol
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